| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2004 | 22 | Yes |
Popular Name: (3S)-N-(3-chlorophenyl)-5-keto-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-(3-chlorophenyl)-5-keto-1…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.86 | -0.32 | -17 | 1 | 4 | 0 | 49 | 314.772 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INHA-2-B | Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial | Bacteria | 3940 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INHA_MYCTU | P0A5Y6 | Enoyl-[acyl-carrier-protein] Reductase, Myctu | 3940 | 0.34 | Binding ≤ 10μM |
